(1R,5S)-3-aminobicyclo[3.2.1]octane-8-carboxylic acid

C9H15NO2 — CID 162343969

IUPAC(1R,5S)-3-aminobicyclo[3.2.1]octane-8-carboxylic acid
SMILESNC1C[C@H]2CC[C@@H](C1)C2C(=O)O
InChIInChI=1S/C9H15NO2/c10-7-3-5-1-2-6(4-7)8(5)9(11)12/h5-8H,1-4,10H2,(H,11,12)/t5-,6+,7?,8?
InChIKeyAVGPNLMOMLMFLI-XEDAXZNXSA-N
MW169.22 g/mol
LogP0.83
Rot. Bonds1

About (1R,5S)-3-aminobicyclo[3.2.1]octane-8-carboxylic acid

(1R,5S)-3-aminobicyclo[3.2.1]octane-8-carboxylic acid (PubChem CID 162343969) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (1R,5S)-3-aminobicyclo[3.2.1]octane-8-carboxylic acid.

Molecular Properties

Compound Name(1R,5S)-3-aminobicyclo[3.2.1]octane-8-carboxylic acid
PubChem CID162343969
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(1R,5S)-3-aminobicyclo[3.2.1]octane-8-carboxylic acid
SMILESNC1C[C@H]2CC[C@@H](C1)C2C(=O)O
InChIInChI=1S/C9H15NO2/c10-7-3-5-1-2-6(4-7)8(5)9(11)12/h5-8H,1-4,10H2,(H,11,12)/t5-,6+,7?,8?
InChIKeyAVGPNLMOMLMFLI-XEDAXZNXSA-N
XLogP0.83
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-aminobicyclo[3.2.1]octane-8-carboxylic acid?
The IUPAC name of (1R,5S)-3-aminobicyclo[3.2.1]octane-8-carboxylic acid (CID 162343969) is (1R,5S)-3-aminobicyclo[3.2.1]octane-8-carboxylic acid.
What is the SMILES notation for (1R,5S)-3-aminobicyclo[3.2.1]octane-8-carboxylic acid?
The canonical SMILES for (1R,5S)-3-aminobicyclo[3.2.1]octane-8-carboxylic acid is NC1C[C@H]2CC[C@@H](C1)C2C(=O)O.
What is the InChIKey of (1R,5S)-3-aminobicyclo[3.2.1]octane-8-carboxylic acid?
The InChIKey is AVGPNLMOMLMFLI-XEDAXZNXSA-N. The full InChI is InChI=1S/C9H15NO2/c10-7-3-5-1-2-6(4-7)8(5)9(11)12/h5-8H,1-4,10H2,(H,11,12)/t5-,6+,7?,8?.
What are the key properties of (1R,5S)-3-aminobicyclo[3.2.1]octane-8-carboxylic acid?
(1R,5S)-3-aminobicyclo[3.2.1]octane-8-carboxylic acid has a molecular weight of 169.22 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-aminobicyclo[3.2.1]octane-8-carboxylic acid is sourced from PubChem (CID 162343969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).